UCSF

ZINC39854108

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 26 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 5.49 8.81 -8.91 1 5 0 64 372.852 7
Ref Reference (pH 7) 5.49 9.51 -9.8 1 5 0 64 372.852 7
Hi High (pH 8-9.5) 5.49 10.65 -58.36 0 5 -1 67 371.844 7
Hi High (pH 8-9.5) 5.49 9.81 -52.39 0 5 -1 67 371.844 7

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )